CID 74027047

(1s,2r,3s)-2,3-dihydro-4-(4-hydroxyphenyl)-1h-phenalene-1,2,3-triol

Structural Information

Molecular Formula
C19H16O4
SMILES
C1=CC2=C3C(=C1)C(C(C(C3=C(C=C2)C4=CC=C(C=C4)O)O)O)O
InChI
InChI=1S/C19H16O4/c20-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14-15(11)16(13)18(22)19(23)17(14)21/h1-9,17-23H
InChIKey
SPLDXWBMWDTALK-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.10486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 169.9
[M+Na]+ 331.09408 178.1
[M-H]- 307.09758 173.1
[M+NH4]+ 326.13868 184.6
[M+K]+ 347.06802 172.1
[M+H-H2O]+ 291.10212 162.8
[M+HCOO]- 353.10306 183.6
[M+CH3COO]- 367.11871 179.8
[M+Na-2H]- 329.07953 174.2
[M]+ 308.10431 168.2
[M]- 308.10541 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.